3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide

C18H27BrN2O2 — CID 55718087

IUPAC3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCCN(CCCNC(=O)CCOc2cccc(Br)c2)C1
InChIInChI=1S/C18H27BrN2O2/c1-15-5-3-10-21(14-15)11-4-9-20-18(22)8-12-23-17-7-2-6-16(19)13-17/h2,6-7,13,15H,3-5,8-12,14H2,1H3,(H,20,22)
InChIKeyMENKFZDSEBUHHG-UHFFFAOYSA-N
MW383.33 g/mol
LogP3.46
Rot. Bonds8

About 3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide

3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 55718087) has the molecular formula C18H27BrN2O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
PubChem CID55718087
Molecular FormulaC18H27BrN2O2
Molecular Weight383.33 g/mol
Exact Mass382.13
IUPAC Name3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCCN(CCCNC(=O)CCOc2cccc(Br)c2)C1
InChIInChI=1S/C18H27BrN2O2/c1-15-5-3-10-21(14-15)11-4-9-20-18(22)8-12-23-17-7-2-6-16(19)13-17/h2,6-7,13,15H,3-5,8-12,14H2,1H3,(H,20,22)
InChIKeyMENKFZDSEBUHHG-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2994155
3-bromo-N-[2-(3-methylpiperidin-1-yl)ethyl]benzamide
CID 47035917
3-(3-bromophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861618
3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 47035366
3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 133199627
N-[2-(3-methoxyphenyl)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109025513
1-[2-(3-bromophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440742
5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide
CID 86889175
4-(3-bromophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 17459733
1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394006
3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 78878509
3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide
CID 86990783

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide (CID 55718087) is 3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide is CC1CCCN(CCCNC(=O)CCOc2cccc(Br)c2)C1.
What is the InChIKey of 3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is MENKFZDSEBUHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O2/c1-15-5-3-10-21(14-15)11-4-9-20-18(22)8-12-23-17-7-2-6-16(19)13-17/h2,6-7,13,15H,3-5,8-12,14H2,1H3,(H,20,22).
What are the key properties of 3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 383.33 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 55718087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).